RCSB PDB - 5NA Ligand Summary Page

5NA

2-hydroxy-5-methyl naphthoic acid

Created: 2009-07-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count11
2D diagram of 5NA

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Chemical Component Summary

Name2-hydroxy-5-methyl naphthoic acid
Synonyms2-hydroxy-5-methylnaphthalene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)2-hydroxy-5-methyl-naphthalene-1-carboxylic acid
FormulaC12 H10 O3
Molecular Weight202.206
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C(O)c1c2c(ccc1O)c(ccc2)C
SMILESCACTVS3.352Cc1cccc2c1ccc(O)c2C(O)=O
SMILESOpenEye OEToolkits1.7.0Cc1cccc2c1ccc(c2C(=O)O)O
Canonical SMILESCACTVS3.352 Cc1cccc2c1ccc(O)c2C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1cccc2c1ccc(c2C(=O)O)O
InChIInChI1.03 InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeyInChI1.03 KKMAZNUSFFWQQY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 44182304
ChEBI CHEBI:83434